Optical band shapes in systems with strong Jahn-Teller coupling
- 10 September 1985
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 18 (25) , 4963-4973
- https://doi.org/10.1088/0022-3719/18/25/015
Abstract
Calculated band shapes for 2s to 2p absorption and MCD transitions with a strong Jahn-Teller interaction and competing spin-orbit coupling are reported. A structure of sharp resonances on the high-energy side of the bands is found, and the bands have a characteristic non-gaussian shape. The results are interpreted in terms of a set of vibronic wavefunctions on nearly adiabatic potential surfaces. The computations are made possible by the use of a Lanczos routine for matrix diagonalisation devised by Parlett and Reid (1980).Keywords
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